2-[1-(2-cyclopropylacetyl)-3-methylazetidin-3-yl]oxyacetic acid

C11H17NO4 — CID 102657119

IUPAC2-[1-(2-cyclopropylacetyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)CC2CC2)C1
InChIInChI=1S/C11H17NO4/c1-11(16-5-10(14)15)6-12(7-11)9(13)4-8-2-3-8/h8H,2-7H2,1H3,(H,14,15)
InChIKeyAOZGDPTWSMRWIF-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.49
Rot. Bonds5

About 2-[1-(2-cyclopropylacetyl)-3-methylazetidin-3-yl]oxyacetic acid

2-[1-(2-cyclopropylacetyl)-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102657119) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[1-(2-cyclopropylacetyl)-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-(2-cyclopropylacetyl)-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102657119
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-[1-(2-cyclopropylacetyl)-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)CC2CC2)C1
InChIInChI=1S/C11H17NO4/c1-11(16-5-10(14)15)6-12(7-11)9(13)4-8-2-3-8/h8H,2-7H2,1H3,(H,14,15)
InChIKeyAOZGDPTWSMRWIF-UHFFFAOYSA-N
XLogP0.49
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-cyclopropylacetyl)-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-(2-cyclopropylacetyl)-3-methylazetidin-3-yl]oxyacetic acid (CID 102657119) is 2-[1-(2-cyclopropylacetyl)-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-(2-cyclopropylacetyl)-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-(2-cyclopropylacetyl)-3-methylazetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(C(=O)CC2CC2)C1.
What is the InChIKey of 2-[1-(2-cyclopropylacetyl)-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is AOZGDPTWSMRWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-11(16-5-10(14)15)6-12(7-11)9(13)4-8-2-3-8/h8H,2-7H2,1H3,(H,14,15).
What are the key properties of 2-[1-(2-cyclopropylacetyl)-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-(2-cyclopropylacetyl)-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 227.26 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-cyclopropylacetyl)-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).